(1s 2 3d 1 ) 2 D Ne 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3d- electron | |
| 1 | 3d | 2.669514 | 1.00404405 |
| 2 | 3d | 11.699069 | .00048862 |
| 3 | 4d | 3.665214 | -.00416312 |
| ORB.ENERGY,a.u. | -3.557800 | ||
| NORM | 1.000000 | < R > | 1.311359 | < R2 > | 1.965674 | < 1/R > | .889967 | < 1/R**2 > | .951135 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.301412 | .88455891 |
| 2 | 1s | 13.460564 | .11101113 |
| 3 | 2s | 7.879193 | .01394741 |
| 4 | 3s | 8.464656 | -.00882752 |
| 5 | 4s | 18.100645 | .00467174 |
| 6 | 5s | 21.057657 | -.00046208 |
| 7 | 5s | 8.098636 | .00036027 |
| ORB.ENERGY,a.u. | -42.959000 |
| NORM | 1.000000 | < R > | .155873 | < R2 > | .032558 | < 1/R > | 9.687128 | < 1/R**2 > | 189.302510 |
Total Energy= -97.42508909 a.u.
Kinetic Energy= 97.41831839 a.u.
Potential Energy= -194.84340748 a.u.
Virial Ratio = -2.00006950